C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
Izici Zomzimba Eziyinhloko | Inani | Isimo |
Isisindo samangqamuzana | 548.56 | - |
I-Melting Point (Eyokuhlola) | 118-120 °C | - |
Ukuminyana (Kubikezelwe) | 1.38±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
pKa (Kubikezelwe) | 9.39±0.10 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
I-Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
I-InChI
I-InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-) 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Ukhiye we-InchI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Elinye Igama lale nto
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Izakhiwo ezitholakalayo
Okushisayo
Okushisayo
Impahla | Inani | Isimo | Umthombo |
I-Melting Point | 118-120 °C | (1) I-CAS |
(1) Penjarla, Srishylam; I-Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
I-Spectra iyatholakala
1H NMR
13C NMR
Izakhiwo ezitholakalayo |
I-Biological |
Amakhemikhali |
Ukuminyana |
I-Lipinski |
Okuhlobene Nesakhiwo |
I-Biological
Impahla | Inani | Isimo | Umthombo |
I-Bioconcentration Factor | 3580 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3570 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3430 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 2500 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Bioconcentration Factor | 689 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
Impahla | Inani | Isimo | Umthombo |
Koc | 12200 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12200 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12200 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12200 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12200 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12200 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 12100 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 11700 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 8480 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
Koc | 2340 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.98 | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.98 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.98 | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.98 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.98 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.98 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.98 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.96 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.82 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
logD | 4.26 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
logP | 4.979±0.563 | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Intrinsic Solubility | 9.9 x 10-5 g/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 9.9 x 10-5 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 1.4 x 10-4 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Mass Solubility | 5.0 x 10-4 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
Impahla | Inani | Isimo | Umthombo |
I-Mass Solubility | 9.9 x 10-5 g/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | pH 1; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | i-pH 3; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 2.5 x 10-7 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 9.2 x 10-7 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
I-Molar Solubility | 1.8 x 10-7 mol/L | Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 548.56 | ||
pKa | 9.39±0.10 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
Impahla | Inani | Isimo | Umthombo |
Ukuminyana | 1.38±0.1 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-Molar | 395.8±5.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
Impahla | Inani | Isimo | Umthombo |
Amabhondi Ashintshashintshayo Ngokukhululekile | 10 | (1) ACD | |
H Abamukelayo | 9 | (1) ACD | |
H Abanikeli | 2 | (1) ACD | |
H Isamba Somnikeli/Umamukeli | 11 | (1) ACD | |
logP | 4.979±0.563 | Izinga lokushisa: 25 °C | (1) ACD |
Isisindo samangqamuzana | 548.56 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
Impahla | Inani | Isimo | Umthombo |
Indawo ye-Polar Surface | 107 A2 | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR